Mrv1652309122217392D 21 22 0 0 0 0 999 V2000 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 -6.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4222 -6.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7578 -5.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5648 -5.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 M END > NP0330373 > NP-MRD > COC(=O)CC(C)CC1=C(OC)C=C2C(=O)OCC2=C1O > InChI=1S/C15H18O6/c1-8(5-13(16)20-3)4-10-12(19-2)6-9-11(14(10)17)7-21-15(9)18/h6,8,17H,4-5,7H2,1-3H3 > VDLOVMGDCHFLEM-UHFFFAOYSA-N > C15H18O6 > 294.303 > 294.1103383 > 4 > 39 > 29.92709555599822 > 1 > 1 > 0 > 1 > methyl 4-(4-hydroxy-6-methoxy-1-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-methylbutanoate > 2.0265122656666663 > 0 > 2 > 0 > 14.040189372834998 > 8.037194073003498 > -4.849241404719052 > 82.06 > 74.9093 > 6 > 1 > methyl 4-(4-hydroxy-6-methoxy-1-oxo-3H-2-benzofuran-5-yl)-3-methylbutanoate > 0 > NP0330373 > methyl 4-(4-hydroxy-6-methoxy-1-oxo-3h-2-benzofuran-5-yl)-3-methylbutanoate $$$$